logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


CHEMBRIDGE-ZINC04947588

 MMsINC code: MMs00812443
Type: Neutral
Formula: C20H26N4
SMILES:   N(/N=C(\C)/c1ccc(N(C)C)cc1)=C(\C)/c1ccc(N(C)C)cc1
InChI:   InChI=1/C20H26N4/c1-15(17-7-11-19(12-8-17)23(3)4)21-22-16(2)18-9-13-20(14-10-18)24(5)6/h7-14H,1-6H3/b21-15+,22-16+

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=128.909 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.456 g/mol  logS: -3.96004  SlogP: 4.0518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00631423  Sterimol/B1: 2.11301  Sterimol/B2: 2.51207  Sterimol/B3: 2.51355
  Sterimol/B4: 6.67695  Sterimol/L: 20.8659 
 
 Surface and Volume Properties
  Accessible surface: 634.587  Positive charged surface: 475.612  Negative charged surface: 158.975  Volume: 356.125
  Hydrophobic surface: 611.819  Hydrophilic surface: 22.768
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.